1-(4-carboxylato-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: 1-(4-carboxylato-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: 1-(4-carboxylato-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(4-carboxylato-2-nitrophenyl)-4-piperidinecarboxylate IUPAC Name: 1-(4-carboxylato-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-carboxylato-2-nitro-phenyl)isonipecotate Formula: C13H12N2O6-2 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c16-12(17)8-3-5-14(6-4-8)10-2-1-9(13(18)19)7-11(10)15(20)21/h1-2,7-8H,3-6H2,(H,16,17)(H,18,19)/p-2